John R. Kitchin

According to our database, John R. Kitchin authored at least 7 papers between 2017 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Circumventing data imbalance in magnetic ground state data for magnetic moment predictions.

Rohan Yuri Sanspeur, John R. Kitchin

Mach. Learn. Sci. Technol., March, 2024

Opyrability: A Python package for process operability analysis.

Victor Alves, San Dinh, John R. Kitchin, Vitor Gazzaneo, Juan C. Carrasco, Fernando V. Lima

J. Open Source Softw., February, 2024

2023

Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.

Aaron G. Garrison, Javier Heras-Domingo, John R. Kitchin, Gabriel dos Passos Gomes, Zachary W. Ulissi, Samuel M. Blau

J. Chem. Inf. Model., December, 2023

<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions.

Rohan Yuri Sanspeur, Javier Heras-Domingo, John R. Kitchin, Zachary W. Ulissi

J. Chem. Inf. Model., April, 2023

From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction.

Nima Shoghi, Adeesh Kolluru, John R. Kitchin, Zachary W. Ulissi, C. Lawrence Zitnick, Brandon M. Wood

CoRR, 2023

2019

pybliometrics: Scriptable bibliometrics using a Python interface to Scopus.

Michael E. Rose, John R. Kitchin

SoftwareX, 2019

2017

Automating data sharing through authoring tools.

John R. Kitchin, Ana E. Van Gulick, Lisa Zilinski

Int. J. Digit. Libr., 2017